Antimicrobial Activity of Novel Ni(II) and Zn(II) Complexes with (E)-2-((5-Bromothiazol-2-yl)imino)methyl)phenol Ligand: Synthesis, Characterization and Molecular Docking Studies.

In order to address the challenges associated with antibiotic resistance by bacteria, two new complexes, Ni(II) and Zn(II), have been synthesized using the conventional method based on Schiff base ligand (E)-2-((5-bromothiazol-2-yl) imino) methyl) phenol. The Schiff base ligand (HL) was synthesized using salicylaldehyde and 5-(4-bromophenyl)thiazol-2-amine in both traditional and efficient, ecologically friendly, microwave-assisted procedures. The ligand and its complexes were evaluated by elemental analyses, FTIR spectroscopy, UV-Vis spectroscopy, nuclear magnetic resonance (NMR), thermogravimetric analysis (TGA) and magnetic susceptibility. The ligand and its complexes were tested for antibacterial activity against three Gram-positive bacteria (Staphylococcus aureus ATCC 25923, Methicillin-resistant Staphylococcus aureus ATCC 43300 and Enterococcus faecalis ATCC 29212) and three Gram-negative bacteria (Pseudomonas aeruginosa ATCC 27853, Escherichia coli ATCC 25922 and Klebsiella pneumoniae ATCC 700603). The findings demonstrate the potent activity of the ligand and its complexes against selective bacteria but the Ni(II) complex with MIC values ranging from 1.95 to 7.81 µg/mL outperformed all other compounds, including the widely used antibiotic Streptomycin. Furthermore, the docking study provided evidence supporting the validity of the antimicrobial results, since the Ni complex showed superior binding affinity against to E. coli NAD synthetase, which had a docking score (-7.61 kcal/mol).

Novel Hybrid Triazoline - Triazole Glycosides: Synthesis, Characterization, Antimicrobial Activity study via In Vitro, and In Silico Means.

Series of novel 1,2,3-triazole, and 1,2,3- triazoline glycosides (a-e) were efficiently synthesized starting from d-arabinose in an effort to synthesize a new type of hybrid molecules containing sugar azide. The key step involved is the introduction of a new group, ethylene glycol, to the anomeric site and protection of the hydroxyl groups with acetic anhydride. Following that, the acetyl group is converted into ethylene glycol to tosylate. Compound Azido ethyl-O-ß-d-arabinofuranoside 4 was synthesized with good yield by treating the derivative 3 with sodium azide, which displaced the tosylate 3 and replaced it with the azide group. The new glycosides were synthesized via a 1,3-dipolar cycloaddition reaction between the intermediate compound 4 and several alkenes and alkynes. The triazole and triazoline compounds were characterized by FT-IR, 1H NMR, 13C NMR, LC/MS-IT-TOF spectral, and C·H.N. analysis. The antimicrobial screening was assayed using the disc diffusion technique revealed moderate to high potential inhibitory values against three test microorganisms compared to standard drugs. Their pharmacokinetics evaluation also showed promising drug-likeness and ADME properties. Furthermore, density functional theory (DFT) was utilized to obtain the molecular geometry of the title compounds utilizing B3LYP/6-311G++ (d, p), molecular electrostatic potential (MEP), frontier molecular orbitals (FMOs) through the investigation of HOMO and LUMO orbitals, and energy gap value. A lower energy gap value denotes that electrons can be transported more easily, indicating that molecule (b) is more reactive than other compounds. Molecular docking analysis revealed that all the designed triazole and triazoline glycosides interacted strongly inside the active site of the enzyme (PDB ID: 2Q85). and exhibits high docking scores, higher than the standard drug. The range of docking scores is -7.99 kcal/mol compound (a) to -7.42 kcal/mol compound (e).

Characterization and adsorption of malachite green dye from aqueous solution onto Salix alba L. (Willow tree) leaves powder and its respective biochar.

In the present study, the use of low-cost, highly efficient, eco-friendly, and abundantly available (in Kashmir region, J&K India) willow leaves from which adsorbents like willow leaves powder (WLP) and willow leaves biochar (WLB) were prepared, have been found to be efficient for malachite green (MG) dye removal and can be used as an alternative to the current expensive methods of removing the same dye from an aqueous solution. The techniques like Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), and carbon, hydrogen, nitrogen, sulphur (CHNS) analyser were used to characterize the samples without any chemical treatment. SEM of the adsorbents shows the presence of different sized pores, cracks, and crevices. FTIR and CHNS show functional groups and elemental concentration, respectively. The effects of various experimental parameters such as contact time, adsorbent dosage, initial dye concentration, salt treatment, and pH were investigated and optimal experimental conditions were obtained. It has been found that Langmuir, Freundlich, and Temkin isotherms were useful for describing the equilibrium of adsorption system. The equilibrium adsorption data in this research work was found to follow both Langmuir and Freundlich isotherm models and maximum monolayer capacity of WLP and WLB were found to be 10.014 and 21.244 mg/g, respectively. The experimental data for both WLP and WLB followed pseudo-second-order kinetic model with R2= 0.999. Intraparticle diffusion model reveals that more than one mechanism influenced the adsorption process. Thermodynamic study concluded that the adsorption is spontaneous for both adsorbents but exothermic for WLP and is endothermic in nature for WLB. Present exploration and comparison with other reported adsorbents concluded that, WLP and WLB may be useful as low-cost attractive option for the removal of MG dye from aqueous solution and therefore, also from wastewater containing MG dye.

This study reports for the first time the use of Salix alba L. (Willow tree) leaves and its biochar as the adsorbents for the removal of malachite green dye from its aqueous solution.Both the adsorbents namely willow leaves powder (WLP) and willow leaves biochar (WLB) are rapid and highly efficient for MG dye removal having percentage removal more than 92.5%.For WLB adsorbent the percentage removal crosses 98.5% by the addition of 0.2 g KCl and by increasing 40 °C temperatures.The adsorbents used in this research work are comparable with the highly efficient low-cost adsorbents used for MG dye like rice husk, water hyacinth, seaweed, etc. found in the literature.The adsorbents (WLP and WLB) were used without chemical treatment having good removal efficiency, cheap, easy available, and their mode of preparation is simple.

Martynia annua safety and efficacy: heavy metal profile, in silico and in vitro approaches on antibacterial and antidiabetic activities.

Liquid Chromatography-Mass Spectrometry (LC-MS) analysis of methanol extract of Martynia annua seed revealed the presence of haploperozide and austricine. For safety, heavy metals content investigation of plant powder using the Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) technique showed that the toxic metals (Pb: 2.07 mg/kg; Cd: 0.07 mg/kg; and As: 0.18 mg/kg) concentrations were found to be below the permissible limit. The extract demonstrated significant antibacterial activity against E. coli (MIC value 125 g/mL). Furthermore, it was effective in inhibiting both α-glucosidase and α-amylase enzymes with a high percentage and IC50 values were 42.28 ± 0.39 µg/mL and 34.11 ± 0.31 µg/mL, respectively. These findings were supported by a molecular docking study, some of the phytochemicals showed higher docking score values than references. However, Martynia annua seeds are safe to consume because they contain low levels of toxic heavy metals and possess antibacterial and anti-diabetic properties.

An integrative GC-MS and LC-MS metabolomics platform determination of the metabolite profile of Bombax ceiba L. root, and in silico & in vitro evaluation of its antibacterial & antidiabetic activities.

The Bombax ceiba L. tree is a member of the family Bombacaceae and the genus Bombax. Both Chinese and Indian traditional medicine have made extensive use of it in the treatment of sickness. Its chemical composition is still a mystery. B. ceiba roots methanol extract (BCRME) was analyzed by different chromatographic analytical techniques in order to identify its major chemical constituents. Twelve compounds and six compounds were identified from GC-MS and LC-MS analysis, respectively. This is the first report on the presence of lathodoratin, cedrene, 4H-1-benzopyran-4-one,8-[{dimethylamino} methyl]-7-methoxy-3-methyl-2-phenyl, asiatic acid, and (E)-2,4,4'-trihydroxylchalcone in B. ceiba roots. Methanol extract demonstrated noteworthy antibacterial activity against Staphylococcus aureus (MTCC96) (MIC: 100 µg/mL) compare to antibiotic ampicillin (MIC: 250 µg/mL) as well as the highest α-amylase inhibition (IC50=26.91 µg/mL) and α-glucosidase inhibition (IC50=21.21 µg/mL) effects, molecular docking study confirmed these findings, with some compounds having a very high docking score.

GC/MS and LC/MS Phytochemical Analysis of Vigna unguiculata L. Walp Pod.

Vigna unguiculata (L. Walp) or Cowpea pod methanolic extracts phytochemical analysis, total phenolic content (TPC), and secondary metabolite profiling were determined using gas chromatography-mass spectrometry (GC/MS) and liquid chromatography-mass spectrometry (LC/MS) analysis. GC/MS analysis revealed twenty compounds in the extract, while LC/MS analysis identified twenty-four compounds. GC/MS chromatogram analysis suggested the presence of opioid α-N-Normethadol a major constituent found in methanolic extract and fatty acid esters carotenoid is found second major constituent. LC/MS chromatogram and the mass spectral analysis demonstrated the presence of flavonoids, carotenoids, and alkaloids as major phytochemicals. We investigated the antibacterial, anti-fungal, and anti-oxidant activity of pod methanolic extract. The extract was found equally effective against E. coli, S. pyogenes, and P. aeruginosa with MIC 100 µg/mL similar to the standard Ampicillin (MIC 100 µg/mL). C. albicans were found to be most susceptible to Vign unguiculata pods methanolic extract with a MIC of 250 µg/mL. The pod extract showed significant DPPH scavenging activity (IC50 =78.38±0.15) which suggests its antioxidant potential.

Design and synthesis of novel enantiopure Bis(5-Isoxazolidine) derivatives: insights into their antioxidant and antimicrobial potential via in silico drug-likeness, pharmacokinetic, medicinal chemistry properties, and molecular docking studies.

A series of novel compounds, mono-5-isoxazolidines, and bis (5-isoxazolidines) derivatives, were prepared as bicycloadducts. The new series of isoxazolidines were designed and synthesized via 1,3-dipolar cycloaddition reaction of nitrones with 3,9-Divinyl-2,4,8,10-tetra oxaspiro (5-5) undecane in the context of new antimicrobial and antioxidant drugs discovery and were fully characterized by FT-IR, 13C-NMR, and 1H-NMR spectroscopy. The physicochemical properties of all the novel cycloadducts, like bioactivity score and lipophilicity, were predicted using calculative methods. Similarly, the pharmacokinetic properties such as metabolism, absorption, distribution, and excretion (ADME) were also predicted. Most of the tested compounds exhibited antimicrobial properties to varying degrees against various bacterial species, including the Gram-negative bacteria Pseudomonas aeruginosa and Escherichia coli, and the Gram-positive bacteria Streptococcus pyogenus and Staphylococcus aureus, Antifungal properties were also observed against the tested fungi like Candida albicans, Aspergillus niger, and Aspergillus clavatus. The activity data exhibited that most compounds have high activity as compared to the standard drugs. In the range of graded doses, the results of some selected compounds revealed that some are high antioxidants while others are moderate or weak antioxidants. As evidenced by the molecular docking studies, the synthesized compounds showed good binding mode better than a standard drug, against the protein of a Pantothenate Synthetase enzyme (PDB-2X3F).

GC-MS and LC-MS: an integrated approach towards the phytochemical evaluation of methanolic extract of Pigeon Pea [Cajanus cajan (L.) Millsp] leaves.

Pigeon Pea is a well-received traditional nutritious and medicinal plant in India since ancient times. The plant is identified for its impressive pharmacological activities like antimicrobial, anti-inflammatory, antitubercular, antioxidant, neuroprotective, antihypertensive, antihyperglycemic and anticancer properties. The metabolites from Pigeon Pea leaves methanolic extract were identified using hyphenated instruments namely Gas Chromatography-Mass Spectroscopy (GC-MS) and Liquid Chromatography-Mass Spectroscopic (LC-MS) method. GC and LC chromatogram showed proper separation and presence of several bioactive compounds such as flavonoids, terpenoids, essential oils, alkaloids, and coumarins. LC-MS investigation reported the presence of Selidin (coumarin) and Tamarixetin (monomethoxyflavone) in the Pigeon Pea Leaves. The present investigations have demonstrated that methanolic extract of Pigeon Pea leaves exhibited impressive antibacterial activity against E. coli and antifungal activity against C. albicans with MIC values 50 µg/ml 250 µg/ml respectively. The extracts studied here have demonstrated to be a new remedial source used against diseases caused by these microorganisms.

Phytochemical analysis by GC-MS, LC-MS complementary approaches and antimicrobial activity investigation of Vigna unguiculata (L.) Walp. leaves.

Consumption of legumes has long been linked to their nutritional and medicinal benefits. Vigna unguiculata (L.) Walp. (Cowpea) is a legume plant in the Fabaceae family and is a rich source of nutrients also is known for its beneficial effects for diseases treatment. In terms of phytochemicals analysis and bioactivities evaluations the major research has focused on the Cowpea seeds, whereas leaves and pods are remained understudied. Herein we have highlighted leaves methanolic extract phytochemicals identification, antimicrobial, and antioxidant activity assessment. Cowpea leaves methanolic extract Liquid Chromatography-Mass Spectrometry (LC-MS) analysis first time revealed the presence of α-hederin, which is a putative novel SARS-COV-2 inhibitor and Zearlenone mycotoxin. Leaves methanolic extract exhibited strong activity against Streptococcus pyogens and Candida albicans. The Cowpea leaves extract is a potent DPPH inhibitor with an IC50 of 62.04 ± 0.08 µg/mL. The bioactive compounds identification in this work supports the plant's nutritional and medicinal uses.

Novel Metformin-Based Schiff Bases: Synthesis, Characterization, and Antibacterial Evaluation.

Novel Schiff bases of metformin hydrochloride and (ortho)para-nitrobenzaldehyde were synthesized by employing two efficient environmentally friendly methods, namely, stirring and microwave-assisted methods using water as the solvent. The advantage of microwave irradiation over the other methods was represented in the reduction of reaction time and wastes, and good yields; however, water in both methods plays the role of eco-friendly solvent. The structural properties of the (ortho)para-isomer products were analyzed by elemental analysis, Fourier transform infrared (FTIR) spectroscopy, UV-Visible (UV-Vis) spectroscopy, 1H nuclear magnetic resonance (NMR) spectroscopy, 13C NMR spectroscopy, mass spectroscopy, and differential scanning calorimetry (DSC). The newly synthesized compounds were screened for their antibacterial activity against selected Gram-positive (ATCC 25923, ATCC 43300, and ATCC 29212) and Gram-negative (ATCC 25922, ATCC 27853, and ATCC 700603) bacteria using the agar well diffusion method. Compared with the standard drug streptomycin, both Schiff bases exhibited moderate bactericidal activity against the tested bacteria with higher values of ortho-nitro compared with the para-nitro isomer; however, no effect on ATCC 43300 and ATCC 27853 was observed under the experimental conditions employed.

Antileishmanial evaluation of clubbed bis(indolyl)-pyridine derivatives: One-pot synthesis, in vitro biological evaluations and in silico ADME prediction.

A new series of bis(indolyl)-pyridine derivatives 6(a-m) were synthesized by Chichibabin reaction process and evaluated for antileishmanial and antibacterial activities to establish structure-activity relationship. The synthesis was carried out through one-pot multicomponent reaction of 3-acetylindole, aromatic aldehydes, and ammonium acetate in the presence of camphor-10-sulfonic acid as a catalyst. The compounds 6d (IC50=102.47µM) and 6f (IC50=99.49µM) had shown promising antileishmanial against L. donovani promastigotes when compared with standard sodium stibogluconate (IC50=490.00µM). All the synthesized compounds (MIC range=41.35-228.69µg/mL) had shown potent antibacterial activity than standard ampicillin (MIC range=100.00-250.00µg/mL) against all the tested bacterial strains. In silico ADME and metabolic site prediction studies were also held out to set an effective lead candidate for the future antileishmanial and antibacterial drug discovery initiatives.

Supercritical carbon dioxide extraction of Triognella foenum graecum Linn seeds:Determination of bioactive compounds and pharmacological analysis

Objective:To investigate the effect of temperature and pressure on supercritical CO2 extraction of Triognella foenum graecum Linn seeds,to determine the optimal condition which leads to highest percentage of the accumulative yield and revealing the chemical composition of supercritical CO2 extract.Methods:Temperatures in the range of 40-60℃ and pressures in the range of 10-25 MPa were used.FTIR and GC-MS analysis were used to detect the bioactive compounds present in the extract.The broth dilution method and slope method were used to evaluate the anti-microbial and anti-tuberculosis activities and the in vitro anti-malarial assay was carried out according to the micro assay protocol of Rieckmann and his coworkers.Results:The temperature was more affected than the pressure on the extraction performance and the highest yield of the extract (3.111％) was attained at 60℃ and 10 MPa.FTIR and GC-MS showed that the chemical composition of the extract included conjugated linoleic acid methyl ester as the major active principle (with concentration of 72.28％),followed by saturated fatty acid methyl esters (16.03％),steroids (8.09％) and organic siloxane compound (3.61％).The extract showed moderate anti-bacterial activity with MIC values 100,250,125 μg/mL towards Escherichia coli,Staphylococcus aureus and Streptococcus pyogenus respectively.It exhibited high inhibition effect towards the fungi Candida albican with MFC value (250 μg/mL).The extract had low antituberculosis activity with MIC value (100 μg/mL) and comparable MIC value (0.29 μg/mL) towards Plasmodium flaciparurn.Conclusions:Supercritical CO2 extraction as alternate and green technology is performed successfully to extract the bioactive compounds from the seeds of T.foenum graecum Linn and it is concluded that this extract can be used as an alternate source of synthetic anti-biotic drugs.

[1, 2, 4]-oxadiazoles: synthesis and biological applications.

In the present article synthesis and medicinal applications of [1, 2, 4] oxadiazoles are reviewed. The oxadiazoles have a wide range of applications such as Antitussive, Anti-inflammatory, Anaesthetic, Vasodilator, anthelmintic, antiallergic, antiplatelet effects in vitro, antithrombotic properties in vivo, etc. Many researchers have synthesized novel heterocyclic compounds containing oxadiazoles with the concept of bioisosterism.

Chemistry and biology of indoles and indazoles: a mini-review.

The present review article is related with the method of preparation, importance and medicinal application of indole and indazoles. The studies of heterocycles is an evergreen field in the branch of organic chemistry and always attract the attention of chemists working not only in the area of natural products but also in the synthetic chemistry. Moreover many useful drugs have emerged from the successful investigation carried out in this branch. The derivatives of indoles and indazoles exhibits antibacterial, anticancer, antionidants, anti-inflammatory, antidiabetic, antiviral, atniproliferative, antituberculosis, antispermetogenic activity, antipsychotic drugs etc.

Nitrate in ground water of Beed City of Maharashtra (India).

An attempt was made to investigate the water pollution caused by nitrate in the ground water of Beed City of Maharashtra inIndia. The samples were collected randomly at different time periods from different places of Beed City and analysed for nitrate contents. The level of nitrate was found high and above permissible limit in the groundwater of the city.

Synthesis of new α aminophosphonate system bearing Indazole moiety and their biological activity.

We are reporting herein for the first time the synthesis of α-aminophosphonates containing Indazole moiety in two steps. In the first step, imines of substituted N-benzylidene-1-methyl-1H-indazole-3-carbohydrazide are synthesized and in the next step it has converted to α-aminophosphonates using chlorotrimethylsilane (TMSCl) and triethyl phosphite. Some of the synthesized derivatives are evaluated for antibacterial activity against different bacterial strains.

Development and validation of a stability indicating RP-HPLC method for the simultaneous determination of related substances of albuterol sulfate and ipratropium bromide in nasal solution.

A simple, sensitive and specific RP-HPLC method was developed for the quantification of related impurities of albuterol sulfate (AS) and ipratropium bromide (IB) in liquid pharmaceutical dosage form. The chromatographic separation employs gradient elution using an inertsil C8-3, 250mmx4.6mm, 5mum columns. Mobile phase consisting of solvent A (solution containing 2.5g of potassium dihydrogen phosphate and 2.87g of heptane-1-sulfonic acid sodium salt per liter of water, adjusted to pH 4 with orthophosphoric acid) and solvent B (acetonitrile) delivered at a flow rate of 1.0mlmin(-1). The analytes were detected and quantified at 210nm using photodiode array (PDA) detector. The method was validated as per ICH guidelines, demonstrating to be accurate and precise (repeatability and intermediate precision level) within the corresponding linear range of known impurities of AS and IB. The specificity of the method was investigated under different stress conditions including hydrolytic, oxidative, photolytic and thermal as recommended by ICH guidelines. Relevant degradation was found to take place under hydrolytic and oxidative conditions. Robustness against small modification in pH, column oven temperature, flow rate and percentage of the mobile phase composition was ascertained. Lower limit of quantification and detection were also determined. The peak purity indices (purity angle

Simultaneous determination of amlodipine besylate and benazepril hydrochloride in pharmaceutical dosage form by LC.

A rapid, precise, specific, and accurate ultra performance liquid chromatography (UPLC) method has been developed and subsequently validated for simultaneous determination of amlodipine present as amlodipine basylate (AB) and benazepril hydrochloride (BH) in capsule dosage form. The chromatographic separation was achieved on an Acquity UPLC, BEH C8 (100 mm x 2.1 mm, 1.7 microm) column using a photodiode array detector. The mobile phase used consisted of a mixture of phosphate buffer pH 3.0 (0.01 M aqueous potassium dihydrogen phosphate, pH 3.0 adjusted with orthophosphoric acid) and solvent mixture (equal mixture of acetonitrile and methanol) in the ratio of 45:55 (v/v) at a flow rate of 0.3 mL/min. The described method was linear over ranges of 5.21-15.63 microg/mL for AB and 20.24-60.72 microg/mL for BH. The mean recoveries were 100.47 and 99.97% for AB and BH, respectively. The lower limit of quantification was determined on the basis of signal-to-noise ratio method; it is 0.01 microg/mL for AB and 0.019 microg/mL for BH.

Synthesis, analgesic and anti-inflammatory activities of novel 3-(4-acetamido-benzyl)-5-substituted-1,2,4-oxadiazoles.

A series of 3-(4-acetamido-benzyl)-5-substituted-1,2,4-oxadiazoles (7a-7n) were synthesized and screened for analgesic and in vivo anti-inflammatory activities using acetic acid writhing in mice model and carrageenan-induced paw oedema method in mice, respectively. The analgesic activity of compounds 7i and 7m is superior while that of 7d, 7c, 7f and 7j is equal to the reference standard, diclofenac sodium. The anti-inflammatory activity of compounds 6, 7c, 7e, 7f, 7i, 7l, 7m and 7n is found to be superior than that of diclofenac sodium which is used as a reference, while compounds 7d and 7g are found to be equipotent with the reference compound.